Geometry & MOs

Info

ID:

190587

PubChem CID:

78024747

Reduced:

SF2O3N8C27H36 (1)

Stoich.:

AB2C3D8E27F36 (1)

Weight, g/mol:

643.417801

ΔHf, kcal/mol:

-139.64

Dipole, Da:

7.61

IP(EA), eV:

 -8.5(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-N-[1-[4-[4-(6-methyl-1,7,8,8a-tetrahydronaphthalen-2-yl)-3-propyl-2-propylidene-3H-naphthalen-1-yl]cyclohexa-1,3-dien-1-yl]-2-phenylethyl]aniline

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)N2CCN(CC2)C)C(=O)NC3C4CN(CCC4NN3)S(=O)C5=CC(=CC(=C5)F)F)N

DOS

IR

Vibrations